1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine

C10H10ClN5 — CID 3053954

IUPAC1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine
SMILESCNNc1nncc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C10H10ClN5/c1-12-15-10-14-9(6-13-16-10)7-3-2-4-8(11)5-7/h2-6,12H,1H3,(H,14,15,16)
InChIKeyFTEXCCNCJIPQQW-UHFFFAOYSA-N
MW235.68 g/mol
LogP1.74
Rot. Bonds3

About 1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine

1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine (PubChem CID 3053954) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine
PubChem CID3053954
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine
SMILESCNNc1nncc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C10H10ClN5/c1-12-15-10-14-9(6-13-16-10)7-3-2-4-8(11)5-7/h2-6,12H,1H3,(H,14,15,16)
InChIKeyFTEXCCNCJIPQQW-UHFFFAOYSA-N
XLogP1.74
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Phenyl-1,2,4-triazin-3-amine
CID 97081
1,2,4-Triazine, 5-(4-chlorophenyl)-3-(methylthio)-
CID 2799497
6-(3-Chlorophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354521
Acetic acid, 2-(5-phenyl-3-as-triazinyl)hydrazide
CID 50570
as-Triazine, 3-hydrazino-5-phenyl-
CID 98542
as-Triazine, 5-(4-chlorophenyl)-3-hydrazino-
CID 3042263
as-Triazine, 3-(2-methylhydrazino)-5-phenyl-
CID 3053019
3-Hydrazino-5-(alpha,alpha,alpha-trifluoro-m-tolyl)-1,2,4-triazine
CID 3053054
Propionic acid, 2-(5-(4-chlorophenyl)-3-as-triazinyl)hydrazide
CID 3053068
as-Triazine, 5-(3-chlorophenyl)-3-hydrazino-
CID 3053950
as-Triazine, 5-(3,4-dichlorophenyl)-3-hydrazino-
CID 3053951
1-(3-Phenyl-1,2,4-triazin-5-yl)-1-butanone (4-chlorophenyl)hydrazone
CID 56642858

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine?
The IUPAC name of 1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine (CID 3053954) is 1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine.
What is the SMILES notation for 1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine?
The canonical SMILES for 1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine is CNNc1nncc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine?
The InChIKey is FTEXCCNCJIPQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c1-12-15-10-14-9(6-13-16-10)7-3-2-4-8(11)5-7/h2-6,12H,1H3,(H,14,15,16).
What are the key properties of 1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine?
1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine has a molecular weight of 235.68 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chlorophenyl)-1,2,4-triazin-3-yl]-2-methylhydrazine is sourced from PubChem (CID 3053954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).